CID 22833307

1-propene, tetramer

Structural Information

Molecular Formula
C12H18
SMILES
C/C=C/C/C=C/C/C=C/CC=C
InChI
InChI=1S/C12H18/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4,6-7,9-10,12H,1,5,8,11H2,2H3/b6-4+,9-7+,12-10+
InChIKey
RCRMTWBZRLYXQC-FNCTZUPOSA-N
Compound name
(4E,7E,10E)-dodeca-1,4,7,10-tetraene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

162.14085 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.14813 142.3
[M+Na]+ 185.13007 152.9
[M+NH4]+ 180.17467 149.7
[M+K]+ 201.10401 144.1
[M-H]- 161.13357 141.8
[M+Na-2H]- 183.11552 145.5
[M]+ 162.14030 143.4
[M]- 162.14140 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.